4-Chloro-2-methylpyrimidine-5-carbonitrile - CAS 38875-74-0

Catalog:	BB023786
Product Name:	4-Chloro-2-methylpyrimidine-5-carbonitrile
CAS:	38875-74-0
Synonyms:	4-chloro-2-methyl-5-pyrimidinecarbonitrile; 4-chloro-2-methylpyrimidine-5-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloro-2-methylpyrimidine-5-carbonitrile
Description:	4-Chloro-2-methylpyrimidine-5-carbonitrile (CAS# 38875-74-0) is a useful research chemical.
Molecular Weight:	153.57
Molecular Formula:	C6H4ClN3
Canonical SMILES:	CC1=NC=C(C(=N1)Cl)C#N
InChI:	InChI=1S/C6H4ClN3/c1-4-9-3-5(2-8)6(7)10-4/h3H,1H3
InChI Key:	HBTCIXIDTLGBFM-UHFFFAOYSA-N
LogP:	1.31008

Publication Number	Title	Priority Date
US-2020140411-A1	2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors	20181102
WO-2020092667-A1	2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors	20181102
CN-113272293-A	2-amino-N-heteroaryl-nicotinamide as NAV1.8 inhibitors	20181102
EP-3873893-A1	2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors	20181102
AU-2015302908-B2	Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy	20140813

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Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.0093748
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	153.0093748
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3